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3-beta-D-glucopyranosyl-4-thio-2H-1,3-benzoxazine-2,4(3H)-dione
SpectraBase Compound ID 4gtJpVOEsiW
InChI InChI=1S/C14H15NO7S/c16-5-8-9(17)10(18)11(19)12(21-8)15-13(23)6-3-1-2-4-7(6)22-14(15)20/h1-4,8-12,16-19H,5H2/t8-,9-,10+,11-,12-/m1/s1
InChIKey GJDHSRGUHHQTJO-RMPHRYRLSA-N
Mol Weight 341.33 g/mol
Molecular Formula C14H15NO7S
Exact Mass 341.056923 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID C1S4560iszB
Name 3-beta-D-GLUCOPYRANOSYL-4-THIO-2H-1,3-BENZOXAZINE-2,4(3H)-DIONE
Source of Sample G. Wagner, Karl-Marx University, Leipzig, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO7S
InChI InChI=1S/C14H15NO7S/c16-5-8-9(17)10(18)11(19)12(21-8)15-13(23)6-3-1-2-4-7(6)22-14(15)20/h1-4,8-12,16-19H,5H2/t8-,9-,10+,11-,12-/m1/s1
InChIKey GJDHSRGUHHQTJO-RMPHRYRLSA-N
Literature Reference Abstract-Chemical Abstracts= 62, 16361(1965)
Melting Point 195-197C
Molecular Weight 341.334015
Optical Properties Optical Rotation= (20C) -58.7 DEG (c=2.0, DMF)
Synonyms GLUCOPYRANOSE, 1-DEOXY-1-/3,4-DI- HYDRO-2-OXO-4-THIOXO-2H-1,3-BENZOXAZIN- 3-YL/-, B-D-/MINUS/-, BENZOXAZINE-2,4/3H/-DIONE, 2H-1,3-, 3-B-D-GLUCOPYRANOSYL-4-THIO-, /MINUS/-,
Technique KBr WAFER